Chloride → HCID 22714366, compound

HRID 2336149Notes

Reaction equation

HRID 2336149 reaction equation
[CH2:36]([N+:37]([CH2:38][CH3:39])([CH2:40][CH3:41])[CH2:42][CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[Cl-:35].[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([c:11]2[cH:12][c:13]3[c:14](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:15][c:16](=[O:22])[n:17]([CH3:21])[c:18]3[cH:19][cH:20]2)[c:29]2[n:30][cH:31][nH:32][cH:33]2)[cH:8][cH:9]1.[I:1][CH3:2].[Na+:56].[OH-:55].[OH2:34]>>[CH3:2][n:32]1[cH:31][n:30][c:29]([CH:10]([c:7]2[cH:6][cH:5][c:4]([Cl:3])[cH:9][cH:8]2)[c:11]2[cH:12][c:13]3[c:14](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:15][c:16](=[O:22])[n:17]([CH3:21])[c:18]3[cH:19][cH:20]2)[cH:33]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 17208BenzyltriethylammoniumHCID 178481483HCID 178481483, compound

Product 1

HCID 22714366HCID 22714366, compound

Sources & evidence

ORD record
ord-823fdffbc1da403daae4b184ff22c576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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